SCHEMBL7792209

SCHEMBL7792209

CCCOc1cccc2c1-c1c(OC(C)C3CCCN3)cccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNA3 P22001 1/20 0.39
TTR P02766 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CYP2A6 P11509 1/20 0.34
ELANE P08246 1/20 0.34
PDE5A O76074 3/20 0.34
CYP1A2 P05177 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
USP2 O75604 1/20 0.33
PDE9A O76083 1/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7792655 0.97 HTR2A (0.40) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7792631 0.95 HTR2A (0.39) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7792711 0.92 HTR2A (0.38) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7792340 0.91 KCNA3 (0.37) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7792026 0.91 HTR2A (0.37) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7795914 0.91 TTR (0.43) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7792664 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BKCNA3TTR
SCHEMBL7795746 0.90 SLC6A2 (0.37) HTR2AHTR2CHTR2BKCNA3CHRNB4
SCHEMBL7786129 0.88 KCNA3 (0.36) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7795846 0.88 HTR2A (0.36) HTR2AHTR2CHTR2BKCNA3SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed